UCSF

ZINC00210494

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 18 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.24 7.12 -30.62 1 5 0 72 246.266 2
Hi High (pH 8-9.5) 2.24 6.67 -59.45 0 5 -1 71 245.258 2
Lo Low (pH 4.5-6) 2.24 6.01 -27.43 2 5 1 70 247.274 2

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.